37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene

C56H25F — CID 163949799

About 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene

37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene (PubChem CID 163949799) has the molecular formula C56H25F and a molecular weight of 716.81 g/mol. Its IUPAC name is 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene.

Molecular Properties

• Compound Name: 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene
• PubChem CID: 163949799
• Molecular Formula: C56H25F
• Molecular Weight: 716.81 g/mol
• Exact Mass: 716.19
• IUPAC Name: 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene
• SMILES: Fc1ccc2cc3c(cc2c1)-c1ccc2c4ccc5c6ccc7c8cc9c(cc8c8ccc(c%10ccc(c%11ccc-3c1c%112)c4c%105)c6c87)c1cccc2cccc9c21
• InChI: InChI=1S/C56H25F/c57-29-8-7-27-22-44-40-17-13-36-32-9-11-34-38-15-19-42-48-24-46-30-5-1-3-26-4-2-6-31(50(26)30)47(46)25-49(48)43-20-16-39(54(38)56(42)43)35-12-10-33(51(32)52(34)35)37-14-18-41(55(40)53(36)37)45(44)23-28(27)21-29/h1-25H
• InChIKey: RYICAOBIPNQARE-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 0.00 Ų
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.81
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene?

The IUPAC name of 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene (CID 163949799) is 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene.

What is the SMILES notation for 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene?

The canonical SMILES for 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene is Fc1ccc2cc3c(cc2c1)-c1ccc2c4ccc5c6ccc7c8cc9c(cc8c8ccc(c%10ccc(c%11ccc-3c1c%112)c4c%105)c6c87)c1cccc2cccc9c21.

What is the InChIKey of 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene?

The InChIKey is RYICAOBIPNQARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H25F/c57-29-8-7-27-22-44-40-17-13-36-32-9-11-34-38-15-19-42-48-24-46-30-5-1-3-26-4-2-6-31(50(26)30)47(46)25-49(48)43-20-16-39(54(38)56(42)43)35-12-10-33(51(32)52(34)35)37-14-18-41(55(40)53(36)37)45(44)23-28(27)21-29/h1-25H.

What are the key properties of 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene?

37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene has a molecular weight of 716.81 g/mol, XLogP of 16.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 37-fluorohexadecacyclo[26.21.2.22,5.229,32.19,13.03,24.04,21.06,20.08,18.025,50.030,46.031,43.033,42.035,40.047,51.017,54]hexapentaconta-1(50),2,4,6(20),7,9,11,13(54),14,16,18,21,23,25,27,29(53),30(46),31(43),32(52),33(42),34,36,38,40,44,47(51),48,55-octacosaene is sourced from PubChem (CID 163949799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).